N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide

C23H20N2O3 — CID 5440493

IUPACN-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide
SMILESCNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1
InChIInChI=1S/C23H20N2O3/c1-24-23(27)21(25-22(26)18-10-4-2-5-11-18)16-17-9-8-14-20(15-17)28-19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27)(H,25,26)/b21-16+
InChIKeyODUOHIMEWWLXIT-LTGZKZEYSA-N
MW372.42 g/mol
LogP4.00
Rot. Bonds6

About N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide

N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide (PubChem CID 5440493) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide
PubChem CID5440493
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide
SMILESCNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1
InChIInChI=1S/C23H20N2O3/c1-24-23(27)21(25-22(26)18-10-4-2-5-11-18)16-17-9-8-14-20(15-17)28-19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27)(H,25,26)/b21-16+
InChIKeyODUOHIMEWWLXIT-LTGZKZEYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide (CID 5440493) is N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide is CNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide?
The InChIKey is ODUOHIMEWWLXIT-LTGZKZEYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-24-23(27)21(25-22(26)18-10-4-2-5-11-18)16-17-9-8-14-20(15-17)28-19-12-6-3-7-13-19/h2-16H,1H3,(H,24,27)(H,25,26)/b21-16+.
What are the key properties of N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide?
N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide has a molecular weight of 372.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(methylamino)-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 5440493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).